5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C33H35N5O2 — CID 130375320

IUPAC5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNCCn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1ccc(OC)c3ccccc13)C2
InChIInChI=1S/C33H35N5O2/c1-34-17-19-38-30-16-18-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)22-29(30)32(36-38)33(39)35-20-24-10-7-9-23-8-3-4-11-26(23)24/h3-15,34H,16-22H2,1-2H3,(H,35,39)
InChIKeyAGSPGIAKDHAXIU-UHFFFAOYSA-N
MW533.68 g/mol
LogP4.91
Rot. Bonds9

About 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375320) has the molecular formula C33H35N5O2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375320
Molecular FormulaC33H35N5O2
Molecular Weight533.68 g/mol
Exact Mass533.28
IUPAC Name5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNCCn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1ccc(OC)c3ccccc13)C2
InChIInChI=1S/C33H35N5O2/c1-34-17-19-38-30-16-18-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)22-29(30)32(36-38)33(39)35-20-24-10-7-9-23-8-3-4-11-26(23)24/h3-15,34H,16-22H2,1-2H3,(H,35,39)
InChIKeyAGSPGIAKDHAXIU-UHFFFAOYSA-N
XLogP4.91
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375320) is 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CNCCn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1ccc(OC)c3ccccc13)C2.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AGSPGIAKDHAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O2/c1-34-17-19-38-30-16-18-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)22-29(30)32(36-38)33(39)35-20-24-10-7-9-23-8-3-4-11-26(23)24/h3-15,34H,16-22H2,1-2H3,(H,35,39).
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 533.68 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-(methylamino)ethyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 130375320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).